5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide

C12H19N3O2S — CID 103287354

IUPAC5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCC1CC1C
InChIInChI=1S/C12H19N3O2S/c1-8-5-9(8)7-15-11-4-3-10(13)6-12(11)18(16,17)14-2/h3-4,6,8-9,14-15H,5,7,13H2,1-2H3
InChIKeyAZJZLZJOBAOADP-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.24
Rot. Bonds5

About 5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide

5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide (PubChem CID 103287354) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
PubChem CID103287354
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCC1CC1C
InChIInChI=1S/C12H19N3O2S/c1-8-5-9(8)7-15-11-4-3-10(13)6-12(11)18(16,17)14-2/h3-4,6,8-9,14-15H,5,7,13H2,1-2H3
InChIKeyAZJZLZJOBAOADP-UHFFFAOYSA-N
XLogP1.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide
CID 103287162
5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide
CID 103286939
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
CID 103286994
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
CID 103287233
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589
5-amino-2-[(4-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286616
5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369551
5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 103287126
5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
CID 103286934

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide (CID 103287354) is 5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NCC1CC1C.
What is the InChIKey of 5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide?
The InChIKey is AZJZLZJOBAOADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-5-9(8)7-15-11-4-3-10(13)6-12(11)18(16,17)14-2/h3-4,6,8-9,14-15H,5,7,13H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide?
5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 103287354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).